14-Butyl-14-thiaadriamycin
TL;DR: 14-Butyl-14-thiaadriamycin (CAS 83291-64-9) is a chemical compound with molecular formula C31H37NO10S and molecular weight 615.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-(2-butylsulfanylacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 14-Butyl-14-thiaadriamycin, 3-[(butylsulfanyl)acetyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside, 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-((butylthio)acetyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-, 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-(2-butylsulfanylacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C31H37NO10S |
|---|---|
| Molecular Weight | 615.21 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 615.2138 |
| Heavy Atoms | 43 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 83291-64-9 |
|---|---|
| SMILES | CCCCSCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)N)O |
| InChIKey | OVEWOVHHHFYLCM-UHFFFAOYSA-N |
Product Overview
14-Butyl-14-thiaadriamycin (CAS 83291-64-9), with molecular formula C31H37NO10S and molecular weight 615.21 g/mol. IUPAC: 7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-(2-butylsulfanylacetyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 14-Butyl-14-thiaadriamycin
Property Insights of 14-Butyl-14-thiaadriamycin
The XLogP value of 3.3 indicates that 14-Butyl-14-thiaadriamycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 211.0 Ų indicates high polarity, suggesting 14-Butyl-14-thiaadriamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 14-Butyl-14-thiaadriamycin has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 14-Butyl-14-thiaadriamycin?
The CAS number of 14-Butyl-14-thiaadriamycin is 83291-64-9.
What is the molecular formula of 14-Butyl-14-thiaadriamycin?
The molecular formula of 14-Butyl-14-thiaadriamycin is C31H37NO10S.
What is the molecular weight of 14-Butyl-14-thiaadriamycin?
The molecular weight of 14-Butyl-14-thiaadriamycin is 615.21 g/mol.
Where can I buy 14-Butyl-14-thiaadriamycin?
You can request a quote for 14-Butyl-14-thiaadriamycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Butyl-14-thiaadriamycin?
Yes, KEHONG BIO provides custom synthesis services for 14-Butyl-14-thiaadriamycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.